4449-0245 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione

4449-0245 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione
4449-0245 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-0245
(5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4449-0245

Molecular Formula

C14H12N2O4 (C14 H12 N2 O4)

Compound Name

(5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5E)-5-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-24-dione

SMILES

COc(cc(/C=C(\C(N1)=O)/NC1=O)cc1)c1OCC#C

InChI

InChI=1S/C14H12N2O4/c1-3-6-20-11-5-4-9(8-12(11)19-2)7-10-13(17)16-14(18)15-10/h1,4-5,7-8H,6H2,2H3,(H2,15,16,17,18)

InChI Key

ROXGXKXPDDXREL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.862

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-1.99

Polar Surface Area

64.446

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4449-0245 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4449-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-0245?
Check Price and Availability of 4449-0245, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4449-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-0245
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4449-0245 available by request